(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate

C10H16O4 — CID 175490230

IUPAC(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H16O4/c1-6-7(2)8(11)13-9(12)14-10(3,4)5/h6H,1-5H3
InChIKeyKYLPBCUNFZQCPJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.43
Rot. Bonds1

About (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate

(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate (PubChem CID 175490230) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate
PubChem CID175490230
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C10H16O4/c1-6-7(2)8(11)13-9(12)14-10(3,4)5/h6H,1-5H3
InChIKeyKYLPBCUNFZQCPJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
tert-butyl 2-bromobut-2-enoate
CID 86092926
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
phenoxycarbonyl 2-methylbut-2-enoate
CID 175490227
[(E)-2-methylbut-2-enoyl]peroxycarbonyl (E)-2-methylbut-2-eneperoxoate
CID 140987479
ditert-butyl (E)-2-methylbut-2-enedioate
CID 12721570
tert-butyl (2Z)-3-bromo-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
CID 170757266
tert-butyl hydroxy carbonate
CID 19428429
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate
CID 102525574
tert-butyl 2-methyl-4-methylsulfanylbut-2-enoate
CID 123693427

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate (CID 175490230) is (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate is CC=C(C)C(=O)OC(=O)OC(C)(C)C.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate?
The InChIKey is KYLPBCUNFZQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-7(2)8(11)13-9(12)14-10(3,4)5/h6H,1-5H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate?
(2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl 2-methylbut-2-enoate is sourced from PubChem (CID 175490230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).